Geometry & MOs

Info

ID:	252387
PubChem CID:	103111027
Reduced:	N3O4H13C14 (1)
Stoich.:	A3B4C13D14 (1)
Weight, g/mol:	270.184447
ΔH_f, kcal/mol:	-44.28
Dipole, Da:	5.71
IP(EA), eV:	-9.56(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-amino-2-methylphenyl)methyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC2=C(C=NC=C2)C(=O)O

DOS

IR

Vibrations